N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride

C16H23BrClFN2 — CID 119930116

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.Fc1ccc(Br)cc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H22BrFN2.ClH/c17-14-1-4-16(18)13(9-14)11-20(15-2-3-15)10-12-5-7-19-8-6-12;/h1,4,9,12,15,19H,2-3,5-8,10-11H2;1H
InChIKeyUYJVOCQKYLZENT-UHFFFAOYSA-N
MW377.73 g/mol
LogP3.97
Rot. Bonds5

About N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride

N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride (PubChem CID 119930116) has the molecular formula C16H23BrClFN2 and a molecular weight of 377.73 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
PubChem CID119930116
Molecular FormulaC16H23BrClFN2
Molecular Weight377.73 g/mol
Exact Mass376.07
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride
SMILESCl.Fc1ccc(Br)cc1CN(CC1CCNCC1)C1CC1
InChIInChI=1S/C16H22BrFN2.ClH/c17-14-1-4-16(18)13(9-14)11-20(15-2-3-15)10-12-5-7-19-8-6-12;/h1,4,9,12,15,19H,2-3,5-8,10-11H2;1H
InChIKeyUYJVOCQKYLZENT-UHFFFAOYSA-N
XLogP3.97
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2,5-difluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopentanamine;hydrochloride
CID 119932338
N-[(2-fluoro-4-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 102877828
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(5-bromo-2-fluorophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63300946
N-[(4-bromothiophen-3-yl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 112739771
4-bromo-2-[[cyclopropyl(piperidin-3-ylmethyl)amino]methyl]phenol
CID 107739211
N-(piperidin-4-ylmethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine
CID 119930125
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
CID 120849541
N-(2-bromoethyl)-N-[(5-bromo-2-fluorophenyl)methyl]cyclopentanamine
CID 80672620
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 120851650
N-(cyclopentylmethyl)-N-[(2-fluorophenyl)methyl]cyclopropanamine
CID 112828716
4-fluoro-3-[[methyl(piperidin-4-ylmethyl)amino]methyl]benzonitrile
CID 79716463

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride (CID 119930116) is N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride is Cl.Fc1ccc(Br)cc1CN(CC1CCNCC1)C1CC1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride?
The InChIKey is UYJVOCQKYLZENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrFN2.ClH/c17-14-1-4-16(18)13(9-14)11-20(15-2-3-15)10-12-5-7-19-8-6-12;/h1,4,9,12,15,19H,2-3,5-8,10-11H2;1H.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride?
N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride has a molecular weight of 377.73 g/mol, XLogP of 3.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine;hydrochloride is sourced from PubChem (CID 119930116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).